1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-diazinane-2,4,6-trione

C9H9N3O3S — CID 112597935

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-diazinane-2,4,6-trione
SMILESCc1nc(N2C(=O)CC(=O)NC2=O)sc1C
InChIInChI=1S/C9H9N3O3S/c1-4-5(2)16-9(10-4)12-7(14)3-6(13)11-8(12)15/h3H2,1-2H3,(H,11,13,15)
InChIKeyHDUPMDQYSMGHTM-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.73
Rot. Bonds1

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-diazinane-2,4,6-trione

1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 112597935) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-diazinane-2,4,6-trione
PubChem CID112597935
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-diazinane-2,4,6-trione
SMILESCc1nc(N2C(=O)CC(=O)NC2=O)sc1C
InChIInChI=1S/C9H9N3O3S/c1-4-5(2)16-9(10-4)12-7(14)3-6(13)11-8(12)15/h3H2,1-2H3,(H,11,13,15)
InChIKeyHDUPMDQYSMGHTM-UHFFFAOYSA-N
XLogP0.73
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[(3-Amino-3-oxopropyl)-(4,5-dimethyl-1,3-thiazol-2-yl)amino]propanamide
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CID 104372085
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
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N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropanamide
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3-amino-N-[4-methyl-5-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 168974588
N-(4,5-dimethyl-1,3-thiazol-2-yl)butanamide
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N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
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CID 4606866
N-(4,5-dimethylthiazol-2-yl)-3-ketobutanamide
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N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-oxo-4-(oxo-lambda5-phosphanylidyne)butanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-diazinane-2,4,6-trione (CID 112597935) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-diazinane-2,4,6-trione is Cc1nc(N2C(=O)CC(=O)NC2=O)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is HDUPMDQYSMGHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c1-4-5(2)16-9(10-4)12-7(14)3-6(13)11-8(12)15/h3H2,1-2H3,(H,11,13,15).
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-diazinane-2,4,6-trione?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 239.26 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112597935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).